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Compound Detail

CHEMBL2216867

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CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2216867
Phase Preclinical
Structure Type MOL
InChI Key KRDULPYOVRWKMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
4.93
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClFN7
MW 419.85
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
22924688 10.1021/jm300847w Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2

Data from ChEMBL 36 via Core Engine